1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone

C19H15ClN2O — CID 118292646

IUPAC1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(-c3cncc4ccccc34)cc(Cl)c21
InChIInChI=1S/C19H15ClN2O/c1-12(23)22-7-6-13-8-15(9-18(20)19(13)22)17-11-21-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
InChIKeyRBJZBSIDQPWTGO-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.46
Rot. Bonds1

About 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone

1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 118292646) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID118292646
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(-c3cncc4ccccc34)cc(Cl)c21
InChIInChI=1S/C19H15ClN2O/c1-12(23)22-7-6-13-8-15(9-18(20)19(13)22)17-11-21-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
InChIKeyRBJZBSIDQPWTGO-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone (CID 118292646) is 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(-c3cncc4ccccc34)cc(Cl)c21.
What is the InChIKey of 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RBJZBSIDQPWTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-12(23)22-7-6-13-8-15(9-18(20)19(13)22)17-11-21-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone?
1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 322.80 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 118292646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).